1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide

C23H22F2N2O2S2 — CID 31839249

IUPAC1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1ccc(F)cc1F)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C23H22F2N2O2S2/c24-17-5-6-20(21(25)13-17)23(29)26-9-7-16(8-10-26)22(28)27(14-18-3-1-11-30-18)15-19-4-2-12-31-19/h1-6,11-13,16H,7-10,14-15H2
InChIKeyAGZQBSFOGWEOLC-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.17
Rot. Bonds6

About 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 31839249) has the molecular formula C23H22F2N2O2S2 and a molecular weight of 460.57 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID31839249
Molecular FormulaC23H22F2N2O2S2
Molecular Weight460.57 g/mol
Exact Mass460.11
IUPAC Name1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1ccc(F)cc1F)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1
InChIInChI=1S/C23H22F2N2O2S2/c24-17-5-6-20(21(25)13-17)23(29)26-9-7-16(8-10-26)22(28)27(14-18-3-1-11-30-18)15-19-4-2-12-31-19/h1-6,11-13,16H,7-10,14-15H2
InChIKeyAGZQBSFOGWEOLC-UHFFFAOYSA-N
XLogP5.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55887114
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531234
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 24595324
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 31839249) is 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(c1ccc(F)cc1F)N1CCC(C(=O)N(Cc2cccs2)Cc2cccs2)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AGZQBSFOGWEOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2S2/c24-17-5-6-20(21(25)13-17)23(29)26-9-7-16(8-10-26)22(28)27(14-18-3-1-11-30-18)15-19-4-2-12-31-19/h1-6,11-13,16H,7-10,14-15H2.
What are the key properties of 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 31839249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).